General Information of the Compound
| Compound ID |
CP0566751
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| Compound Name |
(2S)-2-amino-4-[[(hexylamino)-(3-nitrophenyl)methyl]-hydroxyphosphoryl]butanoic acid
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| Structure |
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| Formula |
C17H28N3O6P
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| Molecular Weight |
401.4
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| Canonical SMILES |
CCCCCCNC(c1cccc(c1)[N+]([O-])=O)P(O)(=O)CC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C17H28N3O6P/c1-2-3-4-5-10-19-16(13-7-6-8-14(12-13)20(23)24)27(25,26)11-9-15(18)17(21)22/h6-8,12,15-16,19H,2-5,9-11,18H2,1H3,(H,21,22)(H,25,26)/t15-,16?/m0/s1
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| InChIKey |
CZFHKLILBAYRNV-VYRBHSGPSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02199, Metabotropic glutamate receptor 4
Protein ID: PT02739, Metabotropic glutamate receptor 8